>compound Isoguvacine_Isoguvacine
#instrument UPLC Q-Tof Premier, Waters
>formula C6H9NO2
#smiles OC(=O)C(C1)=CCNC1
#RECORD LC-ESI-QTOF_train_data/PR100576.txt
>charge -1
>ionization [M-H]-
>parentmass 126.05553

>collision 5-60
97.0296 3.433
126.0555 23.54

